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CAS 1242252-59-0 (4-(difluoromethoxy)-3-fluorophenyl)methanol molecular structure lightbox
CAS RN: 1242252-59-0

(4-(difluoromethoxy)-3-fluorophenyl)methanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250711 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-028093
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1242252-59-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1242252-59-0 / [4-(difluoromethoxy)-3-fluorophenyl]methanol

Standard CAS: 1242252-59-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1242252-59-0
Multi CAS
No
Molecular Formula
C8H7F3O2
Molecular Weight
192.130000
Exact Mass
192.039814
SMILES
C1=CC(=C(C=C1CO)F)OC(F)F
InChI
InChI=1S/C8H7F3O2/c9-6-3-5(4-12)1-2-7(6)13-8(10)11/h1-3,8,12H,4H2
InChIKey
CORPQEYNJLSPOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.95
TPSA
29.46

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2.1
Consensus LogP
1.9
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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